B3LH2D -OEChem-04022118513D 42 44 0 0 0 0 0 0 0999 V2000 -3.5938 1.6266 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0109 0.8183 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3664 3.0711 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 -1.3651 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 -1.0279 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 -0.7798 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 -0.5027 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 -1.1674 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.1222 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -2.0710 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -0.4253 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -2.2624 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 -0.6261 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 1.5593 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 0.9648 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -1.2207 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 0.7639 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8726 0.7715 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4365 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 -0.3949 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9489 1.9184 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 -1.4765 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2286 3.0456 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.0219 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 -2.9525 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 -3.2768 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 1.6389 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -2.3047 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2345 1.2257 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 -2.3361 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9313 1.0130 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 -2.2629 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3089 -2.2630 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4734 -1.2847 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 -2.0447 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -0.9808 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 -2.4273 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6711 -1.6863 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 3.3668 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 3.4940 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 3.4392 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$